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beta-Carotene (PC000461)

Record Information
Version1.0
Creation date2015-10-09 22:30:48 UTC
Update date2017-01-19 02:36:25 UTC
FoodComEx IDPC000461
FoodDB RecordFDB014613
Chemical Information
Namebeta-Carotene
DescriptionYellow food colour, dietary supplement, nutrient, Vitamin A precursor. Nutriceutical with antioxidation props. beta-Carotene is found in many foods, some of which are summer savory, gram bean, sunburst squash (pattypan squash), and other bread product.
CAS Number7235-40-7
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
(all-e)-1,1'-(3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bisHMDB
(all-e)-1,1'-(3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis[2,6,6-trimethyl-cyclohexeneHMDB
β-Carotenebiospider
β,β-Carotenebiospider
1,1'-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-Tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl]bis(2,6,6-trimethylcyclohexene)ChEBI
all-e-b-Carotenebiospider
all-epsilon-beta-Carotenebiospider
all-trans-b-Carotenebiospider
all-trans-beta-Carotenebiospider
all-trans-β-caroteneGenerator
b-CaroteneGenerator
b-KarotinGenerator
b,b-Carotenedb_source
beta-KarotinChEBI
Betacarotenebiospider
Betacarotene, INN, USANdb_source
BetaVitHMDB
C.I. Food Orange 5biospider
Carotabendb_source
Carotene base 80SHMDB
E160adb_source
Food Orange 5biospider
KPMKHMDB
LucaratinHMDB
Lucarotinbiospider
Lurotinbiospider
Phenorodb_source
Provatenedb_source
Provatenolbiospider
Rovimix b-caroteneHMDB
SerlaboHMDB
Solatenedb_source
trans-b-carotenebiospider
Vetoronbiospider
β-caroteneGenerator
β-karotinGenerator
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
InChI KeyOENHQHLEOONYIE-JLTXGRSLSA-N
Isomeric SMILESC\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C
Average Molecular Weight536.888
Monoisotopic Molecular Weight536.438201803
Chemical Taxonomy
Description Belongs to the class of organic compounds known as carotenes. These are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassTetraterpenoids
Direct ParentCarotenes
Alternative Parents
Substituents
  • Carotene
  • Branched unsaturated hydrocarbon
  • Cycloalkene
  • Cyclic olefin
  • Unsaturated aliphatic hydrocarbon
  • Unsaturated hydrocarbon
  • Olefin
  • Hydrocarbon
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water Solubility0.0006 mg/mLGREEN,FJ (1991)
Melting PointMp 183° (sealed tube)DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 1 g
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci H982
AKSci J10299
Cayman Chemical 16837
Glentham GP8334
MetaSci HMDB0000561
Sigma-Aldrich HMDB0000561
Toronto Research Chemicals C184250